N-(2-ethylphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide

C19H21N5OS — CID 1405208

IUPACN-(2-ethylphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCCc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2CC)cc1
InChIInChI=1S/C19H21N5OS/c1-3-14-9-11-16(12-10-14)24-19(21-22-23-24)26-13-18(25)20-17-8-6-5-7-15(17)4-2/h5-12H,3-4,13H2,1-2H3,(H,20,25)
InChIKeyJTYFPTMNQNBFMO-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.52
Rot. Bonds7

About N-(2-ethylphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide

N-(2-ethylphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 1405208) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID1405208
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC NameN-(2-ethylphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCCc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2CC)cc1
InChIInChI=1S/C19H21N5OS/c1-3-14-9-11-16(12-10-14)24-19(21-22-23-24)26-13-18(25)20-17-8-6-5-7-15(17)4-2/h5-12H,3-4,13H2,1-2H3,(H,20,25)
InChIKeyJTYFPTMNQNBFMO-UHFFFAOYSA-N
XLogP3.52
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoic acid
CID 18874200
N-(4-ethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 555650
N-(2,6-dimethylphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1449734
N-(4-ethylphenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 18874225
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide
CID 7455481
N-(2-ethylphenyl)-2-[[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]acetamide
CID 8686214
2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 18874212
methyl 4-chloro-2-[[2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate
CID 1405221
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 7757116
N-(2-ethylphenyl)-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]acetamide
CID 8594389
N-(2-acetylphenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7561491
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 1455235

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 1405208) is N-(2-ethylphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide is CCc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2CC)cc1.
What is the InChIKey of N-(2-ethylphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is JTYFPTMNQNBFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-3-14-9-11-16(12-10-14)24-19(21-22-23-24)26-13-18(25)20-17-8-6-5-7-15(17)4-2/h5-12H,3-4,13H2,1-2H3,(H,20,25).
What are the key properties of N-(2-ethylphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(2-ethylphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 367.48 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 1405208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).